CID 78093

4385-56-2

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=CC(=CC(=C1O)OC)CC(=O)O
InChI
InChI=1S/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKey
BQBQKSSTFGCRQL-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

160
Patents

212.06847 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.075746 141.9
[M+Na]+ 235.057688 150.4
[M-H]- 211.061194 143.6
[M+NH4]+ 230.102293 159.7
[M+K]+ 251.031628 149.3
[M+H-H2O]+ 195.065730 136.4
[M+HCOO]- 257.066671 163.4
[M+CH3COO]- 271.082321 183.1
[M+Na-2H]- 233.043136 145.4
[M]+ 212.06792142 145.5
[M]- 212.06901858 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe